{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.553662 0.25 0.786356 ] [ 0.053662 0.75 0.713644 ] [ 0.946338 0.25 0.286356 ] [ 0.446338 0.75 0.213644 ] [ 0.417037 0.25 0.09513 ] [ 0.917037 0.75 0.40487 ] [ 0.082963 0.25 0.59513 ] [ 0.582963 0.75 0.90487 ] [ 0.741632 0.25 0.101864 ] [ 0.714787 0.553659 0.83787 ] [ 0.714787 0.946341 0.83787 ] [ 0.258368 0.75 0.898136 ] [ 0.69277 0.75 0.048453 ] [ 0.241632 0.75 0.398136 ] [ 0.285213 0.053659 0.16213 ] [ 0.214787 0.446341 0.66213 ] [ 0.785213 0.553659 0.33787 ] [ 0.785213 0.946341 0.33787 ] [ 0.30723 0.25 0.951547 ] [ 0.19277 0.25 0.451547 ] [ 0.80723 0.75 0.548453 ] [ 0.758368 0.25 0.601864 ] [ 0.214787 0.053659 0.66213 ] [ 0.285213 0.446341 0.16213 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.77684885 "source-unit" "angstrom" } "b" { "source-value" 6.35996426 "source-unit" "angstrom" } "c" { "source-value" 10.25374666 "source-unit" "angstrom" } }